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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292439
CHEMBL292439
Compound Name NORLEUCINE
ChEMBL Synonyms 2-Amino-Hexanoic Acid
Max Phase 0
Trade Names
Molecular Formula C6H13NO2

Additional synonyms for CHEMBL292439 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@H](N)C(=O)O
Standard InChI InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) ...
Download InChI
Standard InChI Key LRQKBLKVPFOOQJ-YFKPBYRVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292439

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
131.2 131.0946 0.59 4 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.54 9.87 .95 -1.55 0 9 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL292439. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LRQKBLKVPFOOQJ-YFKPBYRVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292439



Brenda 45598 172545 115940 806 7259 106369
ChEBI 18347 58455
eMolecules 530025
FDA SRS 832C8OV84S
Human Metabolome Database HMDB0001645
IBM Patent System FAD2BCA4EADCFB7E21D9943C55C11E6E
KEGG Ligand C01933
LipidMaps LMFA01100042
Mcule MCULE-7427914532
Metabolights MTBLC18347 MTBLC58455
MolPort MolPort-001-792-901
Nikkaji J9.189H
PDBe NLE
PubChem 6991974 21236
PubChem: Thomson Pharma 15437198
Rhea 58455
SureChEMBL SCHEMBL8393
ZINC ZINC000001529322

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LRQKBLKVPFOOQJ-YFKPBYRVSA-N spacer
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